Compile Data Set for Download or QSAR

Found 525 hits with Last Name = 'ksander' and Initial = 'g'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neprilysin (Homo sapiens (Human))	BDBM155343 (US9006249, Example 49-2 | US9603819, Example 49-2) Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc(n[nH]1)C(O)=O)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The activity of a compound according to the present invention can be assessed by the following in vitro & in vivo methods and/or by the following in ...				US Patent US9603819 (2017) BindingDB Entry DOI: 10.7270/Q20V8FVV
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM155343 (US9006249, Example 49-2 | US9603819, Example 49-2) Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc(n[nH]1)C(O)=O)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description See A fluorescence lifetime-based assay for protease inhibitor profiling on human kallikrein 7 Doering K, Meder G, Hinnenberger M, Woelcke J, Mayr L ...				US Patent US9006249 (2015) BindingDB Entry DOI: 10.7270/Q2NV9H0R
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM153121 (US8993631, 29-2 | US9006249, Example 49-1) Show SMILES C[C@@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc(O)no1)C(O)=O Show InChI InChI=1S/C22H21ClN2O5/c1-13(22(28)29)9-18(24-21(27)19-12-20(26)25-30-19)10-14-5-7-15(8-6-14)16-3-2-4-17(23)11-16/h2-8,11-13,18H,9-10H2,1H3,(H,24,27)(H,25,26)(H,28,29)/t13-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description See A fluorescence lifetime-based assay for protease inhibitor profiling on human kallikrein 7 Doering K, Meder G, Hinnenberger M, Woelcke J, Mayr L ...				US Patent US9006249 (2015) BindingDB Entry DOI: 10.7270/Q2NV9H0R
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM309469 ((2R,4S)-5-(3′-Chloro-biphenyl-4-yl)-4-[(3-hy...) Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)C(\O)=C\C(O)=N)C(O)=O |r| Show InChI InChI=1S/C22H23ClN2O5/c1-13(22(29)30)9-18(25-21(28)19(26)12-20(24)27)10-14-5-7-15(8-6-14)16-3-2-4-17(23)11-16/h2-8,11-13,18,26H,9-10H2,1H3,(H2,24,27)(H,25,28)(H,29,30)/b19-12-/t13-,18+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The activity of a compound according to the present invention can be assessed by the following in vitro & in vivo methods and/or by the following in ...				US Patent US9603819 (2017) BindingDB Entry DOI: 10.7270/Q20V8FVV
					More data for this Ligand-Target Pair
Membrane metallo-endopeptidase-like 1 (Homo sapiens (Human))	BDBM130367 (US8822534, Example 11-14) Show SMILES OC(=O)C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc(O)no1 Show InChI InChI=1S/C20H17ClN2O5/c21-15-3-1-2-14(9-15)13-6-4-12(5-7-13)8-16(10-19(25)26)22-20(27)17-11-18(24)23-28-17/h1-7,9,11,16H,8,10H2,(H,22,27)(H,23,24)(H,25,26)/t16-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...				US Patent US8822534 (2014) BindingDB Entry DOI: 10.7270/Q2513WW2
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM138390 (US8877786, Example 3-1) Show SMILES CCOC(=O)[C@H](C)N[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)C(=O)Nc1nnn[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description The in vitro inhibition of recombinant human neutral endopeptidase (NEP, EC 3.424.11) can be determined as follows:Recombinant human neutral endopept...				US Patent US8877786 (2014) BindingDB Entry DOI: 10.7270/Q28914KV
					More data for this Ligand-Target Pair
Membrane metallo-endopeptidase-like 1 (Homo sapiens (Human))	BDBM130365 (US8822534, Example 11-1 | US8822534, Example 12-1 ...) Show SMILES OC(=O)CCC(=O)N[C@@H](CC(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1 Show InChI InChI=1S/C20H20ClNO5/c21-16-3-1-2-15(11-16)14-6-4-13(5-7-14)10-17(12-20(26)27)22-18(23)8-9-19(24)25/h1-7,11,17H,8-10,12H2,(H,22,23)(H,24,25)(H,26,27)/t17-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...				US Patent US8822534 (2014) BindingDB Entry DOI: 10.7270/Q2513WW2
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM138396 (US8877786, Example 3-13) Show SMILES CC[C@H](N[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)C(=O)NC1=NNNN1)C(O)=O |r,t:24| Show InChI InChI=1S/C20H23ClN6O3/c1-2-16(19(29)30)22-17(18(28)23-20-24-26-27-25-20)10-12-6-8-13(9-7-12)14-4-3-5-15(21)11-14/h3-9,11,16-17,22,26-27H,2,10H2,1H3,(H,29,30)(H2,23,24,25,28)/t16-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description The in vitro inhibition of recombinant human neutral endopeptidase (NEP, EC 3.424.11) can be determined as follows:Recombinant human neutral endopept...				US Patent US8877786 (2014) BindingDB Entry DOI: 10.7270/Q28914KV
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM138395 (US8877786, Example 3-12) Show SMILES OC(=O)[C@H](CCc1ccccc1)N[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)C(=O)NC1=NNNN1 |r,t:34| Show InChI InChI=1S/C26H27ClN6O3/c27-21-8-4-7-20(16-21)19-12-9-18(10-13-19)15-23(24(34)29-26-30-32-33-31-26)28-22(25(35)36)14-11-17-5-2-1-3-6-17/h1-10,12-13,16,22-23,28,32-33H,11,14-15H2,(H,35,36)(H2,29,30,31,34)/t22-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description The in vitro inhibition of recombinant human neutral endopeptidase (NEP, EC 3.424.11) can be determined as follows:Recombinant human neutral endopept...				US Patent US8877786 (2014) BindingDB Entry DOI: 10.7270/Q28914KV
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM155344 (US9006249, Example 49-3 | US9603819, Example 49-3) Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1ccc(o1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C24H22ClNO6/c1-14(23(28)29)11-19(26-22(27)20-9-10-21(32-20)24(30)31)12-15-5-7-16(8-6-15)17-3-2-4-18(25)13-17/h2-10,13-14,19H,11-12H2,1H3,(H,26,27)(H,28,29)(H,30,31)/t14-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description See A fluorescence lifetime-based assay for protease inhibitor profiling on human kallikrein 7 Doering K, Meder G, Hinnenberger M, Woelcke J, Mayr L ...				US Patent US9006249 (2015) BindingDB Entry DOI: 10.7270/Q2NV9H0R
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM138391 (US8877786, Example 3-2) Show SMILES C[C@H](N[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1Cl)C(=O)Nc1nnn[nH]1)C(=O)OC(C)(C)C |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description The in vitro inhibition of recombinant human neutral endopeptidase (NEP, EC 3.424.11) can be determined as follows:Recombinant human neutral endopept...				US Patent US8877786 (2014) BindingDB Entry DOI: 10.7270/Q28914KV
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50323359 ((S)-2-{6-[(S)-1-(4-Chloro-phenyl)-ethyl]-5,5-dioxo...) Show SMILES C[C@H](N1Cc2cncn2C(C[C@H](O)c2ccccc2)S1(=O)=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H22ClN3O3S/c1-15(16-7-9-18(22)10-8-16)25-13-19-12-23-14-24(19)21(29(25,27)28)11-20(26)17-5-3-2-4-6-17/h2-10,12,14-15,20-21,26H,11,13H2,1H3/t15-,20-,21?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 by cell-based assay				Bioorg Med Chem Lett 20: 4324-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.086 BindingDB Entry DOI: 10.7270/Q2QJ7HGS
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Rattus norvegicus)	BDBM50444550 (CHEMBL3099704) Show SMILES Fc1ccc(cc1)-c1cc(ccc1[C@H]1CCCCc2cncn12)C#N |r| Show InChI InChI=1S/C21H18FN3/c22-17-8-6-16(7-9-17)20-11-15(12-23)5-10-19(20)21-4-2-1-3-18-13-24-14-25(18)21/h5-11,13-14,21H,1-4H2/t21-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of rat recombinant CYP11B1 using 11-deoxycortisol as substrate by cell-based assay				ACS Med Chem Lett 4: 1203-7 (2013) Article DOI: 10.1021/ml400324c BindingDB Entry DOI: 10.7270/Q2NZ8938
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM153128 (US8993631, 36) Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)CCC(O)=O)C(O)=O Show InChI InChI=1S/C22H24ClNO5/c1-14(22(28)29)11-19(24-20(25)9-10-21(26)27)12-15-5-7-16(8-6-15)17-3-2-4-18(23)13-17/h2-8,13-14,19H,9-12H2,1H3,(H,24,25)(H,26,27)(H,28,29)/t14-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant human NEP expressed in insect cells preincubated for 1 hr using Cys(PT14)-Arg-Arg-Leu-Trp-OH as substrate and measured afte...				ACS Med Chem Lett 11: 188-194 (2020) Article DOI: 10.1021/acsmedchemlett.9b00578 BindingDB Entry DOI: 10.7270/Q2C82DK4
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50444550 (CHEMBL3099704) Show SMILES Fc1ccc(cc1)-c1cc(ccc1[C@H]1CCCCc2cncn12)C#N |r| Show InChI InChI=1S/C21H18FN3/c22-17-8-6-16(7-9-17)20-11-15(12-23)5-10-19(20)21-4-2-1-3-18-13-24-14-25(18)21/h5-11,13-14,21H,1-4H2/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B1 using 11-deoxycortisol as substrate by cell-based assay				ACS Med Chem Lett 4: 1203-7 (2013) Article DOI: 10.1021/ml400324c BindingDB Entry DOI: 10.7270/Q2NZ8938
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM155344 (US9006249, Example 49-3 | US9603819, Example 49-3) Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1ccc(o1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C24H22ClNO6/c1-14(23(28)29)11-19(26-22(27)20-9-10-21(32-20)24(30)31)12-15-5-7-16(8-6-15)17-3-2-4-18(25)13-17/h2-10,13-14,19H,11-12H2,1H3,(H,26,27)(H,28,29)(H,30,31)/t14-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The activity of a compound according to the present invention can be assessed by the following in vitro & in vivo methods and/or by the following in ...				US Patent US9603819 (2017) BindingDB Entry DOI: 10.7270/Q20V8FVV
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM130359 (US8822534, Example 5-39 | US8993631, 5-8) Show SMILES COc1ccc(Cl)cc1-c1ccc(C[C@H](CC(O)=O)NC(=O)CCC(O)=O)cc1 Show InChI InChI=1S/C21H22ClNO6/c1-29-18-7-6-15(22)11-17(18)14-4-2-13(3-5-14)10-16(12-21(27)28)23-19(24)8-9-20(25)26/h2-7,11,16H,8-10,12H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant human NEP expressed in insect cells preincubated for 1 hr using Cys(PT14)-Arg-Arg-Leu-Trp-OH as substrate and measured afte...				ACS Med Chem Lett 11: 188-194 (2020) Article DOI: 10.1021/acsmedchemlett.9b00578 BindingDB Entry DOI: 10.7270/Q2C82DK4
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50444550 (CHEMBL3099704) Show SMILES Fc1ccc(cc1)-c1cc(ccc1[C@H]1CCCCc2cncn12)C#N |r| Show InChI InChI=1S/C21H18FN3/c22-17-8-6-16(7-9-17)20-11-15(12-23)5-10-19(20)21-4-2-1-3-18-13-24-14-25(18)21/h5-11,13-14,21H,1-4H2/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate by cell-based assay				ACS Med Chem Lett 4: 1203-7 (2013) Article DOI: 10.1021/ml400324c BindingDB Entry DOI: 10.7270/Q2NZ8938
					More data for this Ligand-Target Pair
Neprilysin (Oryctolagus cuniculus (rabbit))	BDBM50251742 ((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...) Show SMILES CC(C)C[C@H](NP(O)(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of enkephalinase activity in membranes prepared from rabbit				J Med Chem 32: 2519-26 (1989) BindingDB Entry DOI: 10.7270/Q2668DSV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Membrane metallo-endopeptidase-like 1 (Homo sapiens (Human))	BDBM130360 (US8822534, Example 5-46 | US8993631, 5-9) Show SMILES OC(=O)C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1n[nH]c(=O)o1 Show InChI InChI=1S/C19H16ClN3O5/c20-14-3-1-2-13(9-14)12-6-4-11(5-7-12)8-15(10-16(24)25)21-17(26)18-22-23-19(27)28-18/h1-7,9,15H,8,10H2,(H,21,26)(H,23,27)(H,24,25)/t15-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...				US Patent US8822534 (2014) BindingDB Entry DOI: 10.7270/Q2513WW2
					More data for this Ligand-Target Pair
Membrane metallo-endopeptidase-like 1 (Homo sapiens (Human))	BDBM130366 (US8822534, Example 11-11 | US8993631, 9-6) Show SMILES OC(=O)C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)C(F)(F)C(F)(F)C(O)=O Show InChI InChI=1S/C20H16ClF4NO5/c21-14-3-1-2-13(9-14)12-6-4-11(5-7-12)8-15(10-16(27)28)26-17(29)19(22,23)20(24,25)18(30)31/h1-7,9,15H,8,10H2,(H,26,29)(H,27,28)(H,30,31)/t15-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...				US Patent US8822534 (2014) BindingDB Entry DOI: 10.7270/Q2513WW2
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50251742 ((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...) Show SMILES CC(C)C[C@H](NP(O)(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of enkephalinase activity in synaptic membranes prepared from rat striatum				J Med Chem 32: 2519-26 (1989) BindingDB Entry DOI: 10.7270/Q2668DSV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neprilysin (Rattus norvegicus (Rat))	BDBM50034841 ((S)-5-Biphenyl-4-yl-4-(2-carboxy-ethylcarbamoyl)-p...) Show SMILES OC(=O)CCNC(=O)[C@@H](CCC(O)=O)Cc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C21H23NO5/c23-19(24)11-10-18(21(27)22-13-12-20(25)26)14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,18H,10-14H2,(H,22,27)(H,23,24)(H,25,26)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description The compound was tested in vitro for inhibition of Neutral endopeptidase by using Leu enkephalin as substrate				J Med Chem 38: 1689-700 (1995) BindingDB Entry DOI: 10.7270/Q2Z89BD0
					More data for this Ligand-Target Pair
Membrane metallo-endopeptidase-like 1 (Homo sapiens (Human))	BDBM130359 (US8822534, Example 5-39 | US8993631, 5-8) Show SMILES COc1ccc(Cl)cc1-c1ccc(C[C@H](CC(O)=O)NC(=O)CCC(O)=O)cc1 Show InChI InChI=1S/C21H22ClNO6/c1-29-18-7-6-15(22)11-17(18)14-4-2-13(3-5-14)10-16(12-21(27)28)23-19(24)8-9-20(25)26/h2-7,11,16H,8-10,12H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t16-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...				US Patent US8822534 (2014) BindingDB Entry DOI: 10.7270/Q2513WW2
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50444549 (CHEMBL3099695) Show SMILES Fc1cc(ccc1[C@H]1CCc2cncn12)C#N |r| Show InChI InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate by cell-based assay				ACS Med Chem Lett 4: 1203-7 (2013) Article DOI: 10.1021/ml400324c BindingDB Entry DOI: 10.7270/Q2NZ8938
					More data for this Ligand-Target Pair				3D Structure (crystal)
Membrane metallo-endopeptidase-like 1 (Homo sapiens (Human))	BDBM130362 (US8822534, Example 5-55 | US8993631, 5-11) Show SMILES COc1ccc(F)cc1-c1ccc(C[C@H](CC(O)=O)NC(=O)c2cc(O)no2)cc1 Show InChI InChI=1S/C21H19FN2O6/c1-29-17-7-6-14(22)9-16(17)13-4-2-12(3-5-13)8-15(10-20(26)27)23-21(28)18-11-19(25)24-30-18/h2-7,9,11,15H,8,10H2,1H3,(H,23,28)(H,24,25)(H,26,27)/t15-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...				US Patent US8822534 (2014) BindingDB Entry DOI: 10.7270/Q2513WW2
					More data for this Ligand-Target Pair
Apolipoprotein B-100 (Homo sapiens (Human))	BDBM50107813 ((S)-methyl 5-(6-methyl-4'-(trifluoromethyl)bipheny...) Show SMILES COC(=O)N[C@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(cc3)C(F)(F)F)cc2C1 |r| Show InChI InChI=1S/C26H23F3N2O3/c1-15-4-3-5-22(23(15)16-6-9-19(10-7-16)26(27,28)29)24(32)30-20-11-8-17-12-21(14-18(17)13-20)31-25(33)34-2/h3-11,13,21H,12,14H2,1-2H3,(H,30,32)(H,31,33)/t21-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Reasearch Curated by ChEMBL					Assay Description Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM				J Med Chem 44: 4677-87 (2001) BindingDB Entry DOI: 10.7270/Q23F4NXH
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50444549 (CHEMBL3099695) Show SMILES Fc1cc(ccc1[C@H]1CCc2cncn12)C#N |r| Show InChI InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay				J Med Chem 58: 9382-94 (2015) Article DOI: 10.1021/acs.jmedchem.5b01545 BindingDB Entry DOI: 10.7270/Q2CC13QV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neprilysin (Rattus norvegicus (Rat))	BDBM50034846 ((2R,4R)-5-Biphenyl-4-yl-4-(3-carboxy-propionylamin...) Show SMILES C[C@H](C[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCC(O)=O)C(O)=O Show InChI InChI=1S/C22H25NO5/c1-15(22(27)28)13-19(23-20(24)11-12-21(25)26)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,15,19H,11-14H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t15-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.740	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description The compound was tested in vitro for inhibition of Neutral endopeptidase by using Leu enkephalin as substrate				J Med Chem 38: 1689-700 (1995) BindingDB Entry DOI: 10.7270/Q2Z89BD0
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50323356 (6-[(S)-1-(4-Chloro-phenyl)-ethyl]-4-isopropoxymeth...) Show SMILES CC(C)OCC1n2cncc2CN([C@@H](C)c2ccc(Cl)cc2)S1(=O)=O |r| Show InChI InChI=1S/C17H22ClN3O3S/c1-12(2)24-10-17-20-11-19-8-16(20)9-21(25(17,22)23)13(3)14-4-6-15(18)7-5-14/h4-8,11-13,17H,9-10H2,1-3H3/t13-,17?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 by cell-based assay				Bioorg Med Chem Lett 20: 4324-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.086 BindingDB Entry DOI: 10.7270/Q2QJ7HGS
					More data for this Ligand-Target Pair
Membrane metallo-endopeptidase-like 1 (Homo sapiens (Human))	BDBM130369 (US8822534, Example 14-1 | US8993631, 11-1) Show SMILES OC(=O)CNC(=O)N[C@@H](CC(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1 Show InChI InChI=1S/C19H19ClN2O5/c20-15-3-1-2-14(9-15)13-6-4-12(5-7-13)8-16(10-17(23)24)22-19(27)21-11-18(25)26/h1-7,9,16H,8,10-11H2,(H,23,24)(H,25,26)(H2,21,22,27)/t16-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...				US Patent US8822534 (2014) BindingDB Entry DOI: 10.7270/Q2513WW2
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50509659 (CHEMBL4443138) Show SMILES CC(C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C22H24ClNO5/c1-14(22(28)29)11-19(24-20(25)9-10-21(26)27)12-15-5-7-16(8-6-15)17-3-2-4-18(23)13-17/h2-8,13-14,19H,9-12H2,1H3,(H,24,25)(H,26,27)(H,28,29)/t14?,19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant human NEP expressed in insect cells preincubated for 1 hr using Cys(PT14)-Arg-Arg-Leu-Trp-OH as substrate and measured afte...				ACS Med Chem Lett 11: 188-194 (2020) Article DOI: 10.1021/acsmedchemlett.9b00578 BindingDB Entry DOI: 10.7270/Q2C82DK4
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50034851 (3-[(S)-3-Biphenyl-4-yl-2-(phosphonomethyl-amino)-p...) Show SMILES OC(=O)CCNC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NCP(O)(O)=O Show InChI InChI=1S/C19H23N2O6P/c22-18(23)10-11-20-19(24)17(21-13-28(25,26)27)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17,21H,10-13H2,(H,20,24)(H,22,23)(H2,25,26,27)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.810	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description The compound was tested in vitro for inhibition of Neutral endopeptidase by using Leu enkephalin as substrate				J Med Chem 38: 1689-700 (1995) BindingDB Entry DOI: 10.7270/Q2Z89BD0
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50323355 (6-[(S)-1-(4-Chloro-phenyl)-ethyl]-4-(2-methoxy-2-m...) Show SMILES COC(C)(C)CC1n2cncc2CN([C@@H](C)c2ccc(Cl)cc2)S1(=O)=O |r| Show InChI InChI=1S/C18H24ClN3O3S/c1-13(14-5-7-15(19)8-6-14)22-11-16-10-20-12-21(16)17(26(22,23)24)9-18(2,3)25-4/h5-8,10,12-13,17H,9,11H2,1-4H3/t13-,17?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 by cell-based assay				Bioorg Med Chem Lett 20: 4324-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.086 BindingDB Entry DOI: 10.7270/Q2QJ7HGS
					More data for this Ligand-Target Pair
Apolipoprotein B-100 (Homo sapiens (Human))	BDBM50107808 (6-Methyl-4'-trifluoromethyl-biphenyl-2-carboxylic ...) Show SMILES Cc1cccc(C(=O)Nc2ccc3C[C@H](Cc3c2)NS(=O)(=O)c2cccs2)c1-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C28H23F3N2O3S2/c1-17-4-2-5-24(26(17)18-7-10-21(11-8-18)28(29,30)31)27(34)32-22-12-9-19-14-23(16-20(19)15-22)33-38(35,36)25-6-3-13-37-25/h2-13,15,23,33H,14,16H2,1H3,(H,32,34)/t23-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Reasearch Curated by ChEMBL					Assay Description Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM				J Med Chem 44: 4677-87 (2001) BindingDB Entry DOI: 10.7270/Q23F4NXH
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50056252 ((6S,9S)-6-Mercaptomethyl-7-oxo-6,7,8,9,10,11,12,13...) Show SMILES OC(=O)[C@@H]1CCCCc2ccccc2C[C@H](CS)C(=O)N1 Show InChI InChI=1S/C16H21NO3S/c18-15-13(10-21)9-12-7-2-1-5-11(12)6-3-4-8-14(17-15)16(19)20/h1-2,5,7,13-14,21H,3-4,6,8-10H2,(H,17,18)(H,19,20)/t13-,14+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit neutral endopeptidase (NEP)				J Med Chem 40: 506-14 (1997) Article DOI: 10.1021/jm960583g BindingDB Entry DOI: 10.7270/Q2TM797S
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50056252 ((6S,9S)-6-Mercaptomethyl-7-oxo-6,7,8,9,10,11,12,13...) Show SMILES OC(=O)[C@@H]1CCCCc2ccccc2C[C@H](CS)C(=O)N1 Show InChI InChI=1S/C16H21NO3S/c18-15-13(10-21)9-12-7-2-1-5-11(12)6-3-4-8-14(17-15)16(19)20/h1-2,5,7,13-14,21H,3-4,6,8-10H2,(H,17,18)(H,19,20)/t13-,14+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase				J Med Chem 40: 495-505 (1997) Article DOI: 10.1021/jm960582o BindingDB Entry DOI: 10.7270/Q2ZC81Z3
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50444548 (CHEMBL3099696) Show SMILES Cc1cc(ccc1[C@H]1CCc2cncn12)C#N |r| Show InChI InChI=1S/C14H13N3/c1-10-6-11(7-15)2-4-13(10)14-5-3-12-8-16-9-17(12)14/h2,4,6,8-9,14H,3,5H2,1H3/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate by cell-based assay				ACS Med Chem Lett 4: 1203-7 (2013) Article DOI: 10.1021/ml400324c BindingDB Entry DOI: 10.7270/Q2NZ8938
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM153108 (US8993631, 16-5 | US9006249, Example 3-32 | US9603...) Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)c1cc(ncn1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C24H23N3O5/c1-15(23(29)30)11-19(27-22(28)20-13-21(24(31)32)26-14-25-20)12-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,13-15,19H,11-12H2,1H3,(H,27,28)(H,29,30)(H,31,32)/t15-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The activity of a compound according to the present invention can be assessed by the following in vitro & in vivo methods and/or by the following in ...				US Patent US9603819 (2017) BindingDB Entry DOI: 10.7270/Q20V8FVV
					More data for this Ligand-Target Pair
Apolipoprotein B-100 (Homo sapiens (Human))	BDBM50107774 (4,6-Dimethyl-4'-trifluoromethyl-biphenyl-2-carboxy...) Show SMILES Cc1cc(C)c(-c2ccc(cc2)C(F)(F)F)c(c1)C(=O)Nc1ccc2C[C@H](Cc2c1)NS(=O)(=O)c1cccs1 Show InChI InChI=1S/C29H25F3N2O3S2/c1-17-12-18(2)27(19-5-8-22(9-6-19)29(30,31)32)25(13-17)28(35)33-23-10-7-20-14-24(16-21(20)15-23)34-39(36,37)26-4-3-11-38-26/h3-13,15,24,34H,14,16H2,1-2H3,(H,33,35)/t24-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Reasearch Curated by ChEMBL					Assay Description Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM				J Med Chem 44: 4677-87 (2001) BindingDB Entry DOI: 10.7270/Q23F4NXH
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50444550 (CHEMBL3099704) Show SMILES Fc1ccc(cc1)-c1cc(ccc1[C@H]1CCCCc2cncn12)C#N |r| Show InChI InChI=1S/C21H18FN3/c22-17-8-6-16(7-9-17)20-11-15(12-23)5-10-19(20)21-4-2-1-3-18-13-24-14-25(18)21/h5-11,13-14,21H,1-4H2/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP11B2 in human NCI-H295R cells assessed as inhibition of angiotensin-2-induced aldosterone production after 24 hrs by RIA				ACS Med Chem Lett 4: 1203-7 (2013) Article DOI: 10.1021/ml400324c BindingDB Entry DOI: 10.7270/Q2NZ8938
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM153108 (US8993631, 16-5 | US9006249, Example 3-32 | US9603...) Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)c1cc(ncn1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C24H23N3O5/c1-15(23(29)30)11-19(27-22(28)20-13-21(24(31)32)26-14-25-20)12-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,13-15,19H,11-12H2,1H3,(H,27,28)(H,29,30)(H,31,32)/t15-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description See A fluorescence lifetime-based assay for protease inhibitor profiling on human kallikrein 7 Doering K, Meder G, Hinnenberger M, Woelcke J, Mayr L ...				US Patent US9006249 (2015) BindingDB Entry DOI: 10.7270/Q2NV9H0R
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Rattus norvegicus)	BDBM50444550 (CHEMBL3099704) Show SMILES Fc1ccc(cc1)-c1cc(ccc1[C@H]1CCCCc2cncn12)C#N |r| Show InChI InChI=1S/C21H18FN3/c22-17-8-6-16(7-9-17)20-11-15(12-23)5-10-19(20)21-4-2-1-3-18-13-24-14-25(18)21/h5-11,13-14,21H,1-4H2/t21-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of rat recombinant CYP11B2 using 11-deoxycorticosterone as substrate by cell-based assay				ACS Med Chem Lett 4: 1203-7 (2013) Article DOI: 10.1021/ml400324c BindingDB Entry DOI: 10.7270/Q2NZ8938
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50500190 (CHEMBL3746080) Show SMILES CCS(=O)(=O)NCc1cncc(c1)-c1cc2ccc(Cl)nc2n1C Show InChI InChI=1S/C16H17ClN4O2S/c1-3-24(22,23)19-9-11-6-13(10-18-8-11)14-7-12-4-5-15(17)20-16(12)21(14)2/h4-8,10,19H,3,9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay				J Med Chem 58: 9382-94 (2015) Article DOI: 10.1021/acs.jmedchem.5b01545 BindingDB Entry DOI: 10.7270/Q2CC13QV
					More data for this Ligand-Target Pair
Membrane metallo-endopeptidase-like 1 (Homo sapiens (Human))	BDBM130365 (US8822534, Example 11-1 | US8822534, Example 12-1 ...) Show SMILES OC(=O)CCC(=O)N[C@@H](CC(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1 Show InChI InChI=1S/C20H20ClNO5/c21-16-3-1-2-15(11-16)14-6-4-13(5-7-14)10-17(12-20(26)27)22-18(23)8-9-19(24)25/h1-7,11,17H,8-10,12H2,(H,22,23)(H,24,25)(H,26,27)/t17-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...				US Patent US8822534 (2014) BindingDB Entry DOI: 10.7270/Q2513WW2
					More data for this Ligand-Target Pair
Apolipoprotein B-100 (Homo sapiens (Human))	BDBM50107809 (CHEMBL143284 | {5-[(4,6-Dimethyl-4'-trifluoromethy...) Show SMILES COC(=O)N[C@H]1Cc2ccc(NC(=O)c3cc(C)cc(C)c3-c3ccc(cc3)C(F)(F)F)cc2C1 Show InChI InChI=1S/C27H25F3N2O3/c1-15-10-16(2)24(17-4-7-20(8-5-17)27(28,29)30)23(11-15)25(33)31-21-9-6-18-12-22(14-19(18)13-21)32-26(34)35-3/h4-11,13,22H,12,14H2,1-3H3,(H,31,33)(H,32,34)/t22-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Reasearch Curated by ChEMBL					Assay Description Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM				J Med Chem 44: 4677-87 (2001) BindingDB Entry DOI: 10.7270/Q23F4NXH
					More data for this Ligand-Target Pair
Membrane metallo-endopeptidase-like 1 (Homo sapiens (Human))	BDBM130370 (US8822534, Example 15-1 | US8993631, 12-1) Show SMILES OC(=O)C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1nn[nH]n1 Show InChI InChI=1S/C18H16ClN5O3/c19-14-3-1-2-13(9-14)12-6-4-11(5-7-12)8-15(10-16(25)26)20-18(27)17-21-23-24-22-17/h1-7,9,15H,8,10H2,(H,20,27)(H,25,26)(H,21,22,23,24)/t15-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...				US Patent US8822534 (2014) BindingDB Entry DOI: 10.7270/Q2513WW2
					More data for this Ligand-Target Pair
Apolipoprotein B-100 (Homo sapiens (Human))	BDBM50107797 (4'-Fluoro-6-methyl-biphenyl-2-carboxylic acid (2-b...) Show SMILES Cc1cccc(C(=O)Nc2ccc3CC(Cc3c2)NS(=O)(=O)c2ccccc2)c1-c1ccc(F)cc1 Show InChI InChI=1S/C29H25FN2O3S/c1-19-6-5-9-27(28(19)20-10-13-23(30)14-11-20)29(33)31-24-15-12-21-16-25(18-22(21)17-24)32-36(34,35)26-7-3-2-4-8-26/h2-15,17,25,32H,16,18H2,1H3,(H,31,33)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Reasearch Curated by ChEMBL					Assay Description Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM				J Med Chem 44: 4677-87 (2001) BindingDB Entry DOI: 10.7270/Q23F4NXH
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50323357 (6-[(S)-1-(4-Chloro-phenyl)-ethyl]-4-cyclopropylmet...) Show SMILES C[C@H](N1Cc2cncn2C(CC2CC2)S1(=O)=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H20ClN3O2S/c1-12(14-4-6-15(18)7-5-14)21-10-16-9-19-11-20(16)17(24(21,22)23)8-13-2-3-13/h4-7,9,11-13,17H,2-3,8,10H2,1H3/t12-,17?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 by cell-based assay				Bioorg Med Chem Lett 20: 4324-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.086 BindingDB Entry DOI: 10.7270/Q2QJ7HGS
					More data for this Ligand-Target Pair
Apolipoprotein B-100 (Homo sapiens (Human))	BDBM50107790 (4'-Trifluoromethyl-biphenyl-2-carboxylic acid (2-b...) Show SMILES FC(F)(F)c1ccc(cc1)-c1ccccc1C(=O)Nc1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C29H23F3N2O3S/c30-29(31,32)22-13-10-19(11-14-22)26-8-4-5-9-27(26)28(35)33-23-15-12-20-16-24(18-21(20)17-23)34-38(36,37)25-6-2-1-3-7-25/h1-15,17,24,34H,16,18H2,(H,33,35)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Reasearch Curated by ChEMBL					Assay Description Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM				J Med Chem 44: 4677-87 (2001) BindingDB Entry DOI: 10.7270/Q23F4NXH
					More data for this Ligand-Target Pair

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